Wannier functions approach to van der Waals interactions in ABINIT

Computer Physics Communications

Volumn 183, Issue 3, 2012, Pages 480-485

  Espejo, C ^a,b   Rangel, T ^c,e   Pouillon, Y ^d,e   Romero, A H ^a   Gonze, X ^c,e  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

^b UNIVERSIDAD JORGE TADEO LOZANO   (Colombia)

^c UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^d UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^e European Theoretical Spectroscopy Facility   (Mexico)

Author keywords

Density functional theory; Van der Waals; Wannier functions

Indexed keywords

AB INITIO; BENZENE DIMERS; BI-LAYER; COMPUTATIONAL COSTS; VAN DER WAALS; VAN DER WAALS CORRECTION; VAN DER WAALS INTERACTIONS; WANNIER FUNCTIONS;

BENZENE; DENSITY FUNCTIONAL THEORY; DIMERS; GRAPHENE;

VAN DER WAALS FORCES;

EID: 84855437881     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.11.003     Document Type: Article

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